-
Notifications
You must be signed in to change notification settings - Fork 0
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
- Loading branch information
Showing
1 changed file
with
74 additions
and
0 deletions.
There are no files selected for viewing
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -0,0 +1,74 @@ | ||
--- | ||
layout: default | ||
title: Fix a PDB Model | ||
parent: Atomic Blender | ||
nav_order: 2 | ||
--- | ||
|
||
## LOAD A PDB FILE | ||
|
||
### Setup | ||
|
||
* Blender version 4.0 | ||
* Blender empty file | ||
|
||
### PDB MOLECULE | ||
|
||
Got a structure of ciprofloxacin in SDF format from here: | ||
|
||
https://www.molinstincts.com/sdf-mol-file/ciprofloxacin-sdf-CT1000048109.html | ||
|
||
translated to PDB with: | ||
|
||
https://datascience.unm.edu/tomcat/biocomp/convert (3D) | ||
|
||
Sometimes you get DivisionByZero, try to use a different converter. | ||
|
||
### WORKFLOW | ||
|
||
1. Delete the cube with `X` | ||
2. Import file [Ciprofloxacin](https://raw.githubusercontent.com/tucano/blender4science/main/course_material/Atomic_Blender/02_fix_pdb/ciprofloxacin.pdb) | ||
|
||
3. Import Settings: | ||
|
||
| Parameter | Value | | ||
|:--------------|:-----------| | ||
| Balls type | Mesh | | ||
| Balls radius | 0.5 | | ||
| Stick type | Duplivert | | ||
| Bonds | Active | | ||
| Bond radius | 0.1 | | ||
|
||
4. Now we are going to merge all atoms and sticks to create a unique mesh. We will work in the Outlier | ||
5. Select Hydrogen and hide it, notice that the sticks are closed. | ||
6. Remove the cups just deleting the underling model (Hydrogen_sticks_cup) | ||
7. Do the same for all sticks: extra faces will interfere with shading. | ||
8. Convert the instance of Carbon_Stick_mesh to a real mesh: `CTRL-A` and make instance real. | ||
9. Select an active stick with `CTRL-Click` and `CTRL-J` to join segments | ||
10. `TAB` to enter edit mode and than `M` and merge by distance to cleanup vertices | ||
11. Do this tedious thing for all the sticks, remember to go back in object mode. | ||
12. Join all sticks in a single mesh: select in outlier and `CTRL-J` and rename it `sticks` | ||
13. On Outlier, create a new collection under Scene collection (name: 'Molecule') | ||
14. In Outlier move the sticks object to the new collection | ||
15. Do the same with atoms: | ||
- `CTRL-A` make instance real | ||
- `CTRL-Click` and select one atom | ||
- `CTRL-J` and join all | ||
- `TAB` and `M` to merge by distance | ||
16. Merge all atoms together with `CRTL-J` | ||
17. Named it balls and move to the collection `Molecule` | ||
18. Select balls: In the Material properties you notice there are multiple materials: rename them as XXX.Atoms (example: Carbon.Atoms) | ||
19. Now we want to separate the bonds and atoms materials. Select sticks and make new materials called XXX.Bonds | ||
20. We can now merge sticks and balls with `CTRL-J` | ||
21. Rename final mesh `Ciprofloxacin` | ||
22. Now that we have a single molecule we can do a lot of cool things! For example let's WAVE this molecule for no reason! | ||
23. On Modifiers add a Wave modifier, play animation and see your molecule waving! | ||
24. Add a rotating animation: | ||
- Remove the wave | ||
- `N` for item properties | ||
- `I` overing 'Rotation' to insert a keyframe | ||
- Go to frame 100 | ||
- Rotate 360 on Z axis with `RZ360` | ||
- Go to frame 120 | ||
- Rotate again on Z axis 360 | ||
25. Render animation (EEVE) |